(3-nitrophenyl)-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone

Formula:C21H15N5O3S Mutagenic:none Tumorigenic:high Reproductive Effective:none (3-nitrophenyl)-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone is a drug-like molecule.

MolName	(3-nitrophenyl)-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone
MolecularFormula	C21H15N5O3S
Smiles	[O-][N+](c1cccc(C(C(S/C2=N/Nc3ccccc3)=NN2c2ccccc2)=O)c1)=O
InChI	InChI=1S/C21H15N5O3S/c27-19(15-8-7-13-18(14-15)26(28)29)20-24-25(17-11-5-2-6-12-17)21(30-20)23-22-16-9-3-1-4-10-16/h1-14,22H
InChIK	HAWGLJADDPSIPD-UHFFFAOYSA-N
TotalMolweight	417.448
Molweight	417.448
MonoisotopicMass	417.08956
CLogP	4.852
CLogS	-5.026
H Acceptors	8
H Donors	1
TotalSurfaceArea	305.89
Relative PSA	0.32358
PolarSurfaceArea	128.18
Druglikeness	-0.9117
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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